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Incorporating chemists’ insight with AI models for single-step retrosynthesis prediction
| Lei Fang, Junren Li, Zhao Ming, Li Tan, 그리고 Jian-Guang Lou
Retrosynthesis analysis is a critical task in organic chemistry and central to many important industries. It primarily involves decomposing a target molecule into commercially available molecules step by step. Since synthesis strategies can be quite diverse and strategic, retrosynthesis planning…